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(+)-(20S)-20-(DIMETHYLAMINO)-3-(3'-ALPHA-ISOPROPYL)-LACTAM-5-ALPHA-PREGN-2-EN-4-ONE
SpectraBase Compound ID Lg68Lw6pg4g
InChI InChI=1S/C29H46N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h13,17-24H,8-12,14-16H2,1-7H3/t18-,19-,20+,21+,22-,23-,24-,28+,29+/m0/s1
InChIKey IVYPSBIZZDNZBC-VTXABSFBSA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H46N2O2
Exact Mass 454.355929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pBLxEVQ5wK
Name (+)-(20S)-20-(DIMETHYLAMINO)-3-(3'-ALPHA-ISOPROPYL)-LACTAM-5-ALPHA-PREGN-2-EN-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46N2O2
InChI InChI=1S/C29H46N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h13,17-24H,8-12,14-16H2,1-7H3/t18-,19-,20+,21+,22-,23-,24-,28+,29+/m0/s1
InChIKey IVYPSBIZZDNZBC-VTXABSFBSA-N
Literature Reference Author L.C.CHANG,K.P.L.BHAT,E.PISHA,E.J.KENNELLY,H.H.S.FONG,J.M.PEZ ZUTO,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,61,1257(1998)
Literature Reference DOI 10.1021/np980162x
Molecular Weight 454.696 g/mol
Solvent CDCl3
Source File Reference UWMZ973